CID 67499987

1260535-94-1

Structural Information

Molecular Formula
C9H10ClN3
SMILES
CC(C)C1=C2C(=CC=NC2=NN1)Cl
InChI
InChI=1S/C9H10ClN3/c1-5(2)8-7-6(10)3-4-11-9(7)13-12-8/h3-5H,1-2H3,(H,11,12,13)
InChIKey
XAWZPCYFBBSSFU-UHFFFAOYSA-N
Compound name
4-chloro-3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

195.05632 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06360 139.3
[M+Na]+ 218.04554 151.1
[M-H]- 194.04904 139.1
[M+NH4]+ 213.09014 158.3
[M+K]+ 234.01948 145.8
[M+H-H2O]+ 178.05358 132.4
[M+HCOO]- 240.05452 154.8
[M+CH3COO]- 254.07017 152.4
[M+Na-2H]- 216.03099 145.3
[M]+ 195.05577 141.9
[M]- 195.05687 141.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe